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NPS-2143 hydrochloride

CAT: 1410-M14052-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M14052-01Size:2 mg
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Description
A potent, selective and orally active CaSR antagonist with IC50 of 43 nM; does not inhibit cytoplasmic Ca2+ responses to glutamate in HEK 293 cells engineered to express mGluRs and GABAB receptors.
CAS Number
324523-20-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
445.3814
Molecular Formula
C24H26Cl2N2O2
Notes
Research use only, not for human use.
Receptor
CaSR

Chemical Information

NPS-2143 hydrochloride
CAS Number324523-20-8
PubChem CID9868131
IUPAC Name2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochloride
Molecular FormulaC24H26Cl2N2O2
Molecular Weight445.4
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity560
SMILES
CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](COC3=C(C(=CC=C3)Cl)C#N)O.Cl
InChI
InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
InChIKey
ZEBNDUQLNGYBNL-VEIFNGETSA-N
Chemical Structure
2D Structure
2D structure of NPS-2143 hydrochloride
CAS: 324523-20-8
CID: 9868131
Formula: C24H26Cl2N2O2
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass444.1371335
Monoisotopic Mass444.1371335
Topological Polar Surface Area65.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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